(4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-(3-methylphenyl)carbamimidothioate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-(3-methylphenyl)carbamimidothioate Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3-(m-tolyl)isothiourea CAS Name: N'-(3-methylphenyl)carbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-(3-methylphenyl)carbamimidothioate Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3-(m-tolyl)isothiourea Formula: C21H28N2S MolecularWeight: 340.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C(N)SCC2=C(C=C(C=C2C)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N=C(N)SCC2=C(C=C(C=C2C)C(C)(C)C)C

InChI

InChI=1S/C21H28N2S/c1-14-8-7-9-18(10-14)23-20(22)24-13-19-15(2)11-17(12-16(19)3)21(4,5)6/h7-12H,13H2,1-6H3,(H2,22,23)